# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cb2989fd-f535-4b85-b044-82d517bee4d6/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Li3BiO4 / I-43m (217) / materials id 769004](https://mdr.nims.go.jp/datasets/2bef3c21-3d13-4598-b1fa-c0f00d893bf6) ## Fulltext elements: [Li, Bi, O]cutoff: 8.0pair_type: gaussianfeature_type: gtinvmodel_type: 3max_p: 2max_l: 8gtinv_order: 3gtinv_maxl: [8, 8]gtinv_sym: [0, 0]gtinv_version: 1electrostatic: 0mass: [6.941, 209.0, 16.0]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [6.445114747931200e-01, 4.517414804291963e+00, 2.641511915772976e-02, 5.689867253363396e+01, 3.319157395455450e-01, 4.390253535567254e+00, 1.782960117882313e+03, 1.505543692219415e+04, -1.201495845870489e+01, 4.259359761079727e+04, -1.036291962887773e+02, 1.090512000600469e+06, 7.499352554398869e+02, 3.810199408032288e-01, -2.102599536061336e+01, -3.346971763563942e+02, 0.000000000000000e+00, 5.158267948565493e+02, 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